SCHEMBL7181697

SCHEMBL7181697

CCc1cccc2c1C(OC(=O)C(C)C)c1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 2/20 0.42
CHRM2 P08172 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
TSHR P16473 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2451297 0.91 L3MBTL1 (0.43) HTTL3MBTL1CYP1A2CHRM2CYP2D6
SCHEMBL7190904 0.86 HTT (0.46) HTTL3MBTL1CYP1A2CHRM2CYP2D6
SCHEMBL7561924 0.85 TSHR (0.47) L3MBTL1CYP1A2CHRM2CYP2D6CHRM1
SCHEMBL8205275 0.82 HTT (0.46) HTTL3MBTL1TSHRKMT2AMEN1
SCHEMBL18543718 0.73 HTT (0.44) HTTL3MBTL1TSHRKMT2AMEN1
SCHEMBL28256758 0.72 HTT (0.45) HTTL3MBTL1TSHRKMT2AMEN1
SCHEMBL18543716 0.72 POLB (0.42) HTTL3MBTL1TSHRKMT2AMEN1
SCHEMBL2230565 0.72 HTT (0.54) HTTL3MBTL1CYP1A2CHRM2CYP2D6
Potassium Ion SCHEMBL4430077 0.72 HTT (0.54) HTTL3MBTL1CYP1A2CHRM2CYP2D6
SCHEMBL8506452 0.72 HTT (0.54) HTTL3MBTL1CYP1A2CHRM2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364107-A1 HYDRAULIC FRACTURING FLUID COMPRISING A BLOCK COPOLYMER CONTAINING AT LEAST ONE WATER-SOLUBLE BLOCK AND ONE HYDROPHOBIC BLOCK RHODIA CHIMIE (FR) 2003-11-26 EP disclosed
WO-2002070861-A1 HYDRAULIC FRACTURING FLUID COMPRISING A BLOCK COPOLYMER CONTAINING AT LEAST ONE WATER-SOLUBLE BLOCK AND ONE HYDROPHOBIC BLOCK RHODIA CHIMIE (FR) 2002-09-12 WO disclosed